2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide

C10H13ClN2OS — CID 91022284

IUPAC2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide
SMILESCCCC(Oc1ccc(Cl)nc1)C(N)=S
InChIInChI=1S/C10H13ClN2OS/c1-2-3-8(10(12)15)14-7-4-5-9(11)13-6-7/h4-6,8H,2-3H2,1H3,(H2,12,15)
InChIKeySLUJCSCLFOKEEO-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.57
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide

2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide (PubChem CID 91022284) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide
PubChem CID91022284
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide
SMILESCCCC(Oc1ccc(Cl)nc1)C(N)=S
InChIInChI=1S/C10H13ClN2OS/c1-2-3-8(10(12)15)14-7-4-5-9(11)13-6-7/h4-6,8H,2-3H2,1H3,(H2,12,15)
InChIKeySLUJCSCLFOKEEO-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(4-methoxybutan-2-yloxy)pyridine
CID 116500414
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718
ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
CID 83038413
4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide
CID 141266511
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
2-[(6-chloro-3-pyridinyl)oxy]ethanol
CID 22036297
(6-chloro-3-pyridinyl)oxymethyl-trimethylsilane
CID 130680161
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
CID 129452128
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
CID 103867951
N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide
CID 54787918

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide (CID 91022284) is 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide is CCCC(Oc1ccc(Cl)nc1)C(N)=S.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide?
The InChIKey is SLUJCSCLFOKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-2-3-8(10(12)15)14-7-4-5-9(11)13-6-7/h4-6,8H,2-3H2,1H3,(H2,12,15).
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide?
2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide has a molecular weight of 244.75 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide is sourced from PubChem (CID 91022284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).